交聯(lián)環(huán)氧樹脂結(jié)構(gòu)與玻璃化轉(zhuǎn)變的分子模擬研究 (2)

1、畢業(yè)設(shè)計（論文）計（論文）題目：交聯(lián)環(huán)氧樹脂結(jié)構(gòu)與玻璃化轉(zhuǎn)變的分子模擬研究專業(yè)：材料物理MolecularsimulationstudyonthestructureglasstransitionbehaviofcrosslinkedepoxyresinAbstractThemolecularsimulationmethodwasemployedtoconstructthecrosslinkedepoxyresinwkmodelwhich

2、consistsofdiglycidyletherbisphenolA(DGEBA)isophonediamine(IPD).Thestructuralacteristicsofcrosslinkedepoxyresinwereexpledbyinvestigatingtheatomicpackingfeaturerotarymotionoflocalbonds.Thefinalresultsshowthatthereexistthre

3、edifferenttypesofhydrogenbondinginteractionsinthestructurewhichareOH…OHOH…OetherOH…N.Theflexibilityofbondswereunevenlydistributedonepoxysegmentsbondsnearthecrosslinkingpointthebenzenesexhibitlessflexibility.What’smethein

4、creasingtemperaturewillweakentheinteractionofatomsreinfcethechainflexibilityofthecrosslinkedepoxyresin.Theglasstransitionbehaviofthecrosslinkedepoxywasinvestigatedbymoleculardynamicsmethod.Thefinalresultsindicatethatthed

5、ecreasingcrosslinkingratemayarousethedecreaseoftheglasstransitiontemperature(Tg)ofepoxyresin.Tgcalculatedfromspecificvolumewasveryclosetotheexperimentvaluewitha6Kdeviationonly.Thecuringshrinkagerateofepoxyresinwasverysma

6、ll.thethermalstabilitywillstrengthenwhenthecrosslinkingrateincreases.Thesimulatedresultssuchascuringshrinkageratethermalexpansioncoefficientsareidenticalwiththeexperimentalvalues.Keywds:EpoxyResin；Crosslinking；Polymerwks